CAS RN: 1345681-71-1
H2N-PEG12-OH
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260220 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1345681-71-1
- Purity/Analytical Methods: >99.0%
1345681-71-1 / 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Basic Information
CAS
1345681-71-1
Multi CAS
No
Molecular Formula
C24H51NO12
Molecular Weight
545.700000
Exact Mass
545.341126
SMILES
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)N
InChI
InChI=1S/C24H51NO12/c25-1-3-27-5-7-29-9-11-31-13-15-33-17-19-35-21-23-37-24-22-36-20-18-34-16-14-32-12-10-30-8-6-28-4-2-26/h26H,1-25H2
InChIKey
JPIQEMLLJLGGFV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Fraction Csp3
1
Rotatable bonds
34
H-bond acceptors
13
H-bond donors
2
Molar refractivity
135.15
TPSA
147.78
LogP / Solubility
WLOGP
-0.88
MLOGP
-0.73
XLogP3
-3
Consensus LogP
-1.54
Log S (ESOL)
-0.42
Class (ESOL)
Very soluble
Log S (Ali)
-3.4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-6.56
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.67
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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